General Information of the Compound
| Compound ID |
CP0408374
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| Compound Name |
(5S)-5-[[[(1S,2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C25H26F6N2O2
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| Molecular Weight |
500.483
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@@H]2CC[C@H](NC[C@@H]3CCC(=O)N3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H26F6N2O2/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)14-35-21-8-7-20(23(21)16-4-2-1-3-5-16)32-13-19-6-9-22(34)33-19/h1-5,10-12,19-21,23,32H,6-9,13-14H2,(H,33,34)/t19-,20-,21+,23+/m0/s1
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| InChIKey |
XFSJGZVARSALDD-NNXSRULWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound